1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(1-benzotriazolyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(benzotriazol-1-yl)ethanone Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H18N4O3/c1-13-9-16(19(26)11-24-18-6-4-3-5-17(18)22-23-24)14(2)25(13)15-7-8-20-21(10-15)28-12-27-20/h3-10H,11-12H2,1-2H3